%chk=000104137.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104137

0 1
O -0.156615 -2.758984 0.367900
O 5.512700 0.421306 0.418680
N -1.029332 -0.318841 -0.572809
N 3.514721 1.439448 -0.137745
C 0.325625 -0.461013 -0.209471
C -1.670390 1.020924 -0.430005
C -3.148850 0.858217 -0.173406
C 0.794654 -1.755806 0.170848
C 1.258526 0.583082 -0.293799
C 2.621221 0.326420 -0.019543
C 2.136709 -1.995087 0.440393
C 3.062838 -0.951459 0.349098
C -4.043429 0.766002 -1.249071
C -3.630342 0.791553 1.142167
C -5.412392 0.618811 -1.008365
C -4.999945 0.643990 1.377560
C -5.892419 0.559240 0.303844
C 4.911905 1.421477 0.087633
C -0.281916 -3.662750 -0.762319
C 5.569730 2.758598 -0.123135
H -1.492179 1.579739 -1.380010
H -1.199696 1.625473 0.380122
H -1.626794 -1.092862 -0.248755
H 0.936565 1.575326 -0.589160
H 2.458696 -2.994169 0.735014
H 4.118508 -1.138425 0.566738
H -3.670955 0.803201 -2.272029
H -2.939185 0.851307 1.981814
H 3.081933 2.321497 -0.418447
H -6.105591 0.548793 -1.845226
H -5.371887 0.593266 2.399883
H -6.958890 0.445166 0.489559
H 0.659578 -4.194062 -0.922998
H -0.581562 -3.109847 -1.656789
H -1.070317 -4.345551 -0.428216
H 5.459950 3.125298 -1.151875
H 6.653083 2.672116 0.069890
H 5.187444 3.529106 0.558733


%chk=000104137-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104137

0 1
O -0.272142 -2.794667 -0.286087
O 5.603223 0.441686 -0.440125
N -1.091162 -0.302259 0.111170
N 3.496331 1.420057 -0.080818
C 0.279923 -0.489827 -0.032452
C -1.710328 0.988797 0.408787
C -3.219787 0.947046 0.201086
C 0.757373 -1.824525 -0.263665
C 1.231975 0.555341 0.028755
C 2.619226 0.292897 -0.156129
C 2.125703 -2.076090 -0.439201
C 3.074307 -1.023473 -0.392956
C -3.767204 0.427488 -1.000912
C -4.097456 1.452038 1.191106
C -5.164396 0.415937 -1.206117
C -5.496541 1.446995 0.985463
C -6.034218 0.927969 -0.214195
C 4.882212 1.460859 -0.217635
C 0.125510 -4.184693 -0.498003
C 5.493702 2.856402 -0.080398
H -1.271268 1.755489 -0.266359
H -1.487298 1.321690 1.447841
H -1.662213 -1.146585 0.165265
H 0.898598 1.579850 0.231297
H 2.483221 -3.094970 -0.617093
H 4.138824 -1.213023 -0.530351
H -3.093239 0.035755 -1.771705
H -3.685630 1.846764 2.128180
H 3.036586 2.315483 0.095581
H -5.574953 0.012708 -2.138803
H -6.163422 1.840456 1.760840
H -7.118140 0.920170 -0.374413
H 0.804280 -4.532961 0.304892
H 0.619837 -4.313172 -1.480635
H -0.809136 -4.764593 -0.473117
H 4.758218 3.653865 0.126874
H 6.031493 3.104314 -1.012013
H 6.239691 2.841281 0.732749


